CID 87839155

C18H23BrNO3Si — CID 87839155

IUPAC—
SMILESC[Si](C)OCn1c(=O)c(C(=O)CBr)c(C(C)(C)C)c2ccccc21
InChIInChI=1S/C18H23BrNO3Si/c1-18(2,3)16-12-8-6-7-9-13(12)20(11-23-24(4)5)17(22)15(16)14(21)10-19/h6-9H,10-11H2,1-5H3
InChIKeyGYSJUFKQTOLZON-UHFFFAOYSA-N
MW409.38 g/mol
LogP4.10
Rot. Bonds5

About CID 87839155

CID 87839155 (PubChem CID 87839155) has the molecular formula C18H23BrNO3Si and a molecular weight of 409.38 g/mol.

Molecular Properties

Compound NameCID 87839155
PubChem CID87839155
Molecular FormulaC18H23BrNO3Si
Molecular Weight409.38 g/mol
Exact Mass408.06
IUPAC Name—
SMILESC[Si](C)OCn1c(=O)c(C(=O)CBr)c(C(C)(C)C)c2ccccc21
InChIInChI=1S/C18H23BrNO3Si/c1-18(2,3)16-12-8-6-7-9-13(12)20(11-23-24(4)5)17(22)15(16)14(21)10-19/h6-9H,10-11H2,1-5H3
InChIKeyGYSJUFKQTOLZON-UHFFFAOYSA-N
XLogP4.10
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87839155?
The IUPAC name of CID 87839155 (CID 87839155) is not available.
What is the SMILES notation for CID 87839155?
The canonical SMILES for CID 87839155 is C[Si](C)OCn1c(=O)c(C(=O)CBr)c(C(C)(C)C)c2ccccc21.
What is the InChIKey of CID 87839155?
The InChIKey is GYSJUFKQTOLZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrNO3Si/c1-18(2,3)16-12-8-6-7-9-13(12)20(11-23-24(4)5)17(22)15(16)14(21)10-19/h6-9H,10-11H2,1-5H3.
What are the key properties of CID 87839155?
CID 87839155 has a molecular weight of 409.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87839155 is sourced from PubChem (CID 87839155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).